trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine

C11H22FNO — CID 126847834

IUPACtrans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine
SMILESCC(C)OCCCN[C@@H]1CCC[C@H]1F
InChIInChI=1S/C11H22FNO/c1-9(2)14-8-4-7-13-11-6-3-5-10(11)12/h9-11,13H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyHAPGHJQXJOZLNG-GHMZBOCLSA-N
MW203.30 g/mol
LogP2.28
Rot. Bonds6

About trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine

trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine (PubChem CID 126847834) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine
PubChem CID126847834
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Nametrans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine
SMILESCC(C)OCCCN[C@@H]1CCC[C@H]1F
InChIInChI=1S/C11H22FNO/c1-9(2)14-8-4-7-13-11-6-3-5-10(11)12/h9-11,13H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyHAPGHJQXJOZLNG-GHMZBOCLSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-4-(propan-2-yloxy)piperidine
CID 59176324
4-{[(2S)-2-fluoropropyl]oxy}piperidine
CID 86694328
4-[(2R)-2-fluoropropoxy]piperidine
CID 89688425
(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine
CID 118551859
(3R,4R)-3-fluoro-4-propan-2-yloxypiperidine
CID 121261788
(3S,4R)-3-fluoro-4-propan-2-yloxypiperidine
CID 124162756
2-fluoro-2-methyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 134581779
N-propylcyclopentanamine;1-(trifluoromethoxy)butane
CID 172334476
N-[3-(2,2,2-trifluoroethoxy)propyl]hexan-2-amine
CID 62200027
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62446165
N-[2-(2,2,2-trifluoroethoxy)propyl]cyclopentanamine
CID 62567651
N-propyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 64706243

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine (CID 126847834) is trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine is CC(C)OCCCN[C@@H]1CCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine?
The InChIKey is HAPGHJQXJOZLNG-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22FNO/c1-9(2)14-8-4-7-13-11-6-3-5-10(11)12/h9-11,13H,3-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine?
trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine is sourced from PubChem (CID 126847834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).